SCHEMBL3515014

SCHEMBL3515014

COc1ccccc1-c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.46
XDH P47989 1/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP4B1 P13584 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP3A5 P20815 1/20 0.43
CYP2A7 P20853 1/20 0.43
CYP3A7 P24462 1/20 0.43
CYP2F1 P24903 1/20 0.43
CYP2C18 P33260 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2J2 P51589 1/20 0.43
CYP4F2 P78329 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2410930 0.84 CTSA (0.44) HSD17B10ALDH1A1CTSA
SCHEMBL3394704 0.83 ALDH1A1 (0.53) XDHHSD17B10ALDH1A1GAADCUN1D1
SCHEMBL3655321 0.81 EGLN1 (0.43) XDHHSD17B10ALDH1A1CTSA
SCHEMBL20377717 0.80 ALDH1A1 (0.46) XDHHSD17B10ALDH1A1GAADCUN1D1
SCHEMBL4344106 0.80 FYN (0.43) HTR7CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3655959 0.80 ADORA3 (0.42) XDHCYP1A2HSD17B10ALDH1A1CTSA
SCHEMBL12761250 0.79 GP6 (0.37) HSD17B10ALDH1A1GAADCUN1D1
SCHEMBL26556078 0.79 HTR7 (0.64) HTR7CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL29629017 0.79 HTR7 (0.64) HTR7CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL5096254 0.78 ALDH1A1 (0.44) ALDH1A1GAADCUN1D1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK HTR7 324/4885XDH 247/4885CYP1A1 598/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK HTR7 324/4885XDH 247/4885CYP1A1 598/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.